Vitas-M small molecule compound
(5E)-5-[3-bromo-5-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Catalog ID
STK170599
SMILES C#CCOc1c(Br)cc(cc1OCC)/C=C/1\C(=O)NC(=O)N(C1=O)c1ccc(cc1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H19BrN2O5 MW 483.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN2O5/c1-4-10-31-20-18(24)12-15(13-19(20)30-5-2)11-17-21(27)25-23(29)26(22(17)28)16-8-6-14(3)7-9-16/h1,6-9,11-13H,5,10H2,2-3H3,(H,25,27,29)/b17-11+InChIKey
XBRIJXAAVQROFC-GZTJUZNOSA-NSynonyms
(5E)5((3BROMO5ETHOXY4PROP2YNOXYPHENYL)METHYLIDENE)1(4METHYLPHENYL)13DIAZINANE246TRIONE
(5E)5(3BROMO5ETHOXY4(PROP2YN1YLOXY)BENZYLIDENE)1(4METHYLPHENYL)PYRIMIDINE246(1H3H5H)TRIONE
C#CCOc1c(Br)cc(cc1OCC)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)C
CCOC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C)Br)OCC#C
InChI=1SC23H19BrN2O5c1410312018(24)1215(1319(20)3052)111721(27)2523(29)26(22(17)28)168614(3)7916h1691113H510H223H3(H252729)b1711+
MFCD02634598
ZINC000002946008
ZINC02946008
ZINC2946008
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